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KsData< Matrix > Struct Template Reference

structure describing the data needed by distributors. More...

#include <xc_evaluators.h>

Public Member Functions

 KsData (Matrix *m_, size_t s)
 
 ~KsData ()
 

Public Attributes

Matrix * excmat
 
realdR
 
realdZ
 
real energy
 

Detailed Description

template<typename Matrix>
struct KsData< Matrix >

structure describing the data needed by distributors.

This is the restricted-orbital formalism, cross alpha-beta terms are not needed.

Constructor & Destructor Documentation

◆ KsData()

template<typename Matrix >
KsData< Matrix >::KsData ( Matrix *  m_,
size_t  s 
)
inline

◆ ~KsData()

template<typename Matrix >
KsData< Matrix >::~KsData ( )
inline

Member Data Documentation

◆ dR

template<typename Matrix >
real* KsData< Matrix >::dR

◆ dZ

template<typename Matrix >
real* KsData< Matrix >::dZ

◆ energy

template<typename Matrix >
real KsData< Matrix >::energy

◆ excmat

template<typename Matrix >
Matrix* KsData< Matrix >::excmat

Referenced by xcCallbackGgaR(), and xcCallbackLdaR().


The documentation for this struct was generated from the following file: